2-[3-[difluoro-(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]pyridine

C21H19F2NO — CID 162398390

IUPAC2-[3-[difluoro-(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]pyridine
SMILESCOc1ccc(C(F)(F)c2ccc(C)c(-c3ccccn3)c2C)cc1
InChIInChI=1S/C21H19F2NO/c1-14-7-12-18(15(2)20(14)19-6-4-5-13-24-19)21(22,23)16-8-10-17(25-3)11-9-16/h4-13H,1-3H3
InChIKeyCDVGRYNLLQLLMI-UHFFFAOYSA-N
MW339.39 g/mol
LogP5.51
Rot. Bonds4

About 2-[3-[difluoro-(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]pyridine

2-[3-[difluoro-(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]pyridine (PubChem CID 162398390) has the molecular formula C21H19F2NO and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-[3-[difluoro-(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]pyridine.

Molecular Properties

Compound Name2-[3-[difluoro-(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]pyridine
PubChem CID162398390
Molecular FormulaC21H19F2NO
Molecular Weight339.39 g/mol
Exact Mass339.14
IUPAC Name2-[3-[difluoro-(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]pyridine
SMILESCOc1ccc(C(F)(F)c2ccc(C)c(-c3ccccn3)c2C)cc1
InChIInChI=1S/C21H19F2NO/c1-14-7-12-18(15(2)20(14)19-6-4-5-13-24-19)21(22,23)16-8-10-17(25-3)11-9-16/h4-13H,1-3H3
InChIKeyCDVGRYNLLQLLMI-UHFFFAOYSA-N
XLogP5.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.39
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bisacodyl
CID 2391
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
4-(6-Methoxynaphthalen-2-yl)isoquinoline
CID 24754344
3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine
CID 25034430
3-{[(1E)-5-methoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539769
(3-Pyridylmethylene)indane 11b
CID 6539770
3-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539771
(3-Pyridylmethylene)tetrahydronaphthalene 13b
CID 6539772
4-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539798
(4-Pyridylmethylene)tetrahydronaphthalene 14b
CID 6539799
3-(5-Methoxy-1H-inden-2-yl)pyridine
CID 6540048
3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540049

Frequently Asked Questions

What is the IUPAC name of 2-[3-[difluoro-(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]pyridine?
The IUPAC name of 2-[3-[difluoro-(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]pyridine (CID 162398390) is 2-[3-[difluoro-(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]pyridine.
What is the SMILES notation for 2-[3-[difluoro-(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]pyridine?
The canonical SMILES for 2-[3-[difluoro-(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]pyridine is COc1ccc(C(F)(F)c2ccc(C)c(-c3ccccn3)c2C)cc1.
What is the InChIKey of 2-[3-[difluoro-(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]pyridine?
The InChIKey is CDVGRYNLLQLLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO/c1-14-7-12-18(15(2)20(14)19-6-4-5-13-24-19)21(22,23)16-8-10-17(25-3)11-9-16/h4-13H,1-3H3.
What are the key properties of 2-[3-[difluoro-(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]pyridine?
2-[3-[difluoro-(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]pyridine has a molecular weight of 339.39 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[difluoro-(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]pyridine is sourced from PubChem (CID 162398390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).